SCHEMBL18044602

SCHEMBL18044602

O[C@@H]1CC(n2cc(I)c3c(Cl)ncnc32)C[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADK P55263 17/20 0.56
SLC29A1 Q99808 1/20 0.54
MTOR P42345 1/20 0.45
RAB9A P51151 1/20 0.45
LCK P06239 1/20 0.41
SRC P12931 1/20 0.41
KDR P35968 1/20 0.41
TEK Q02763 1/20 0.41
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
ABL2 P42684 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18044688 0.91 ADK (0.56) ADKSLC29A1MTORRAB9AABL1
SCHEMBL18589204 0.89 ADK (0.56) ADKSLC29A1MTORRAB9ALCK
SCHEMBL4659175 0.86 ADK (0.50) ADKSLC29A1MTORRAB9AABL1
SCHEMBL23733113 0.86 ADK (0.56) ADKSLC29A1MTORRAB9A
SCHEMBL4659181 0.86 ADK (0.56) ADKSLC29A1MTORRAB9A
SCHEMBL29484542 0.85 ADK (0.54) ADKSLC29A1MTORRAB9ALCK
SCHEMBL16236390 0.85 ADK (0.54) ADKSLC29A1MTORRAB9ALCK
SCHEMBL18044589 0.85 ADK (0.53) ADKSLC29A1MTORRAB9ALCK
SCHEMBL398720 0.85 ADK (0.57) ADKSLC29A1MTORRAB9ALCK
SCHEMBL398110 0.85 ADK (0.57) ADKSLC29A1MTORRAB9ALCK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3067356-B1 PYRROLO PYRIMIDINE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2018-07-04 EP disclosed
US-9586967-B2 Pyrrolo pyrimidine derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2017-03-07 US disclosed
US-20160264579-A1 PYRROLO PYRIMIDINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2016-09-15 US disclosed
EP-3067356-A1 PYRROLO PYRIMIDINE DERIVATIVE ONO Pharmaceutical Co., Ltd. (JP) 2016-09-14 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160264579-A1 PYRROLO PYRIMIDINE DERIVATIVE AXL, FLT3, TYRO3 ADK 282/4885SLC29A1 3249/4885MTOR 277/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.